[gmx-users] rm_pbc
Christoph Freudenberger
christoph.freudenberger at chemie.uni-ulm.de
Wed Mar 19 11:15:45 CET 2003
hi there,
I have finished the first version ot the sdf tool.
While "cleaning" the source code I noticed that the
function rm_pbc uses a structure of type 't_topology'.
Is it vital for the correct pbc handling that a
topology has been read from a .tpr file?
The programm runs fine withot and appearently the output
is the same, I just want to be sure.
regards
--
Christoph Freudenberger
Abt. Organische Chemie I AK Siehl - Uni Ulm -Tel: ++49-731-502-2785
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